相关论文: Hydrodynamics of moving contact lines: macroscopic…
In this paper, we propose a numerical investigation of topological interactions in flocking dynamics. Starting from a microscopic description of the phenomena, mesoscopic and macroscopic models have been previously derived under specific…
Microscopic understanding of liquid properties is essential for advancing a wide range of applications from energy applications such as nuclear reactors and batteries to biomedical applications including drug delivery and microfluidics.…
A good representation of mesoscopic fluids is required to combine with molecular simulations at larger length and time scales (De Fabritiis {\it et. al}, Phys. Rev. Lett. 97, 134501 (2006)). However, accurate computational models of the…
The relaxation dynamics of the contact angle between a viscous liquid and a smooth substrate is studied at the nanoscale. Through atomic force microscopy measurements of polystyrene nanostripes we monitor simultaneously the temporal…
Large-scale molecular dynamics simulations are used to simulate a layer of nanoparticles diffusing on the surface of a liquid. Both a low viscosity liquid, represented by Lennard-Jones monomers, and a high viscosity liquid, represented by…
In this paper we numerically investigate the breakup dynamics of droplets in an emulsion flowing in a tapered microchannel with a narrow constriction. The mesoscale approach for multicomponent fluids with near contact interactions is shown…
The use of ultra-thin, i.e., monolayer films plays an important role for the emerging field of nano-fluidics. Since the dynamics of such films is governed by the interplay between substrate-fluid and fluid-fluid interactions, the transport…
This contribution compares several different approaches allowing one to derive macroscopic traffic equation directly from microscopic car-following models. While it is shown that some conventional approaches lead to theoretical problems, it…
The remaining dynamical degrees of freedom of molecular fluids confined into capillaries of nano to sub-nanometer diameter are of fundamental relevance for future developments in the field of nanofluidics. These properties cannot be simply…
We investigate the slip boundary condition for single-phase flow past a chemically patterned surface. Molecular dynamics (MD) simulations show that modulation of fluid-solid interaction along a chemically patterned surface induces a lateral…
Droplets abound in nature and technology. In general, they are multicomponent, and, when out of equilibrium, with gradients in concentration, implying flow and mass transport. Moreover, phase transitions can occur, with either evaporation,…
Nanoparticles with different surface morphologies that straddle the interface between two immiscible liquids are studied via molecular dynamics simulations. The methodology employed allows us to compute the interfacial free energy at…
In molecular dynamics simulations, nanochannel flows are usually driven by a constant force, that aims to represent a pressure difference between inlet and outlet, and periodic boundary conditions are applied in the streamwise direction…
We consider an interacting particle system which models the sterile insect technique. It is the superposition of a generalized contact process with exchanges of particles on a finite cylinder with open boundaries (see Kuoch et al., 2017).…
A droplet that impacts onto a solid substrate deforms in a complex dynamics. To extract the principal mechanisms that dominate this dynamics we deploy numerical simulations based on the phase field method. Direct comparison with experiments…
In many macroscopic dynamic wetting problems, it is assumed that the macroscopic interface is quasistatic, and the dissipation appears only in the region close to the contact line. When approaching the moving contact line, a microscopic…
We study the boundary conditions at a fluid-solid interface using molecular dynamics simulations covering a broad range of fluid-solid interactions and fluid densities, and both simple and chain-molecule fluids. The slip length is shown to…
We study the derivation of macroscopic traffic models out of optimal speed and follow-the-leader particle dynamics as hydrodynamic limits of non-local Povzner-type kinetic equations. As a first step, we show that optimal speed vehicle…
In order to probe the dynamics of contact-line motion, we study the macroscopic properties of sessile drops deposited on and then aspirated from carefully prepared horizontal surfaces. By measuring the contact angle and drop width…
Mirroring their role in electrical and optical physics, two-dimensional crystals are emerging as novel platforms for fluid separations and water desalination, which are hydrodynamic processes that occur in nanoscale environments. For…